SCHEMBL20291073

SCHEMBL20291073

COc1cc(OC)c2c(=O)cc(-c3cc(C)c(OC[C@H](O)CN4CCOCC4)c(C)c3)oc2c1

nearest known ligand 0.87

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.87
▸ BRD2 P25440 4/20 0.85
▸ BRD3 Q15059 4/20 0.85
▸ BRDT Q58F21 4/20 0.85
▸ ABCC1 P33527 1/20 0.51
▸ ABCB1 P08183 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23787097 1.00 BRD4 (0.87) BRD4BRD2BRD3BRDTABCC1
SCHEMBL20291077 0.93 BRD4 (1.00) BRD4BRD2BRD3BRDTABCC1
SCHEMBL20271946 0.93 BRD4 (1.00) BRD4BRD2BRD3BRDTABCC1
SCHEMBL23787087 0.93 BRD4 (1.00) BRD4BRD2BRD3BRDTABCC1
SCHEMBL23787098 0.92 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20271950 0.92 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL23787105 0.91 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20271529 0.91 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20291278 0.91 BRD4 (0.85) BRD4BRD2BRD3BRDTABCC1
SCHEMBL23787096 0.89 BRD4 (0.83) BRD4BRD2BRD3BRDTABCC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3554503-B1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) UNIV TEXAS (US) 2023-10-04 — — EP disclosed
EP-3554503-B1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) UNIV TEXAS (US) 2023-10-04 — — EP disclosed
US-11117865-B2 Inhibitors of bromodomain-containing protein 4 (BRD4) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-14 — — US disclosed
US-11117865-B2 Inhibitors of bromodomain-containing protein 4 (BRD4) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-14 — — US disclosed
WO-2018112037-A1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) ZHOU JIA (US) 2018-06-21 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11117865-B2 Inhibitors of bromodomain-containing protein 4 (BRD4) BRD4, NFKBIA, NFRKB BRD4 1/4885BRD2 12/4885BRD3 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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